N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide

C16H16BrN3O3 — CID 55972451

IUPACN-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C16H16BrN3O3/c17-14-8-7-13(23-14)15(21)18-11-5-1-2-6-12(11)19-16(22)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,18,21)(H,19,22)
InChIKeyJDEDMXVNTUCVFC-UHFFFAOYSA-N
MW378.23 g/mol
LogP3.92
Rot. Bonds3

About N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 55972451) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID55972451
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC NameN-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C16H16BrN3O3/c17-14-8-7-13(23-14)15(21)18-11-5-1-2-6-12(11)19-16(22)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,18,21)(H,19,22)
InChIKeyJDEDMXVNTUCVFC-UHFFFAOYSA-N
XLogP3.92
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide
CID 1288270
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 60610299
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide (CID 55972451) is N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(Br)o1.
What is the InChIKey of N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is JDEDMXVNTUCVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c17-14-8-7-13(23-14)15(21)18-11-5-1-2-6-12(11)19-16(22)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 378.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55972451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).